SCHEMBL4427211

SCHEMBL4427211

CC(C)(C)OC(=O)NCC1(c2cccc(Cl)c2)CCC(N)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.46
SLC6A4 P31645 3/20 0.44
SLC6A3 Q01959 3/20 0.44
SLC6A2 P23975 1/20 0.44
KCNH2 Q12809 1/20 0.41
CACNA1I Q9P0X4 1/20 0.41
KCNA3 P22001 2/20 0.41
DRD2 P14416 5/20 0.41
DPP8 Q6V1X1 2/20 0.39
DPP9 Q86TI2 2/20 0.39
CCR5 P51681 1/20 0.39
CTSL P07711 1/20 0.38
CYP3A4 P08684 1/20 0.38
SCN9A Q15858 1/20 0.38
KDM4E B2RXH2 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4431845 1.00 DPP4 (0.46) DPP4SLC6A4SLC6A3SLC6A2KCNH2
SCHEMBL14550036 1.00 DPP4 (0.46) DPP4SLC6A4SLC6A3SLC6A2KCNH2
SCHEMBL8172562 1.00 DPP4 (0.46) DPP4SLC6A4SLC6A3SLC6A2KCNH2
SCHEMBL4433544 0.90 SLC6A4 (0.45) DPP4SLC6A4SLC6A3SLC6A2KCNH2
SCHEMBL4433820 0.90 SLC6A4 (0.45) DPP4SLC6A4SLC6A3SLC6A2KCNH2
SCHEMBL14550037 0.90 SLC6A4 (0.45) DPP4SLC6A4SLC6A3SLC6A2KCNH2
SCHEMBL4433548 0.90 SLC6A4 (0.45) DPP4SLC6A4SLC6A3SLC6A2KCNH2
SCHEMBL8190223 0.87 SLC6A4 (0.60) SLC6A4SLC6A3SLC6A2KCNH2CACNA1I
SCHEMBL4430913 0.87 SLC6A4 (0.41) DPP4SLC6A4SLC6A3SLC6A2KCNH2
SCHEMBL4436894 0.85 KCNA3 (0.40) DPP4SLC6A4SLC6A3SLC6A2KCNH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130012485-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-01-10 US disclosed
EP-2124913-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS Novartis AG (CH) 2009-12-02 EP disclosed
WO-2008077597-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS NOVARTIS AG (CH) 2008-07-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130012485-A1 ORGANIC COMPOUNDS DPP4, DPP3, DPP7 DPP4 1/4885SLC6A4 461/4885SLC6A3 399/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.